5-chloro-7-(cyclopropylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

C12H12ClN3O — CID 58314665

IUPAC5-chloro-7-(cyclopropylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCc1nn2c(CC3CC3)cc(Cl)nc2c1C=O
InChIInChI=1S/C12H12ClN3O/c1-7-10(6-17)12-14-11(13)5-9(16(12)15-7)4-8-2-3-8/h5-6,8H,2-4H2,1H3
InChIKeyNMSPJXWETPXRSU-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.46
Rot. Bonds3

About 5-chloro-7-(cyclopropylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

5-chloro-7-(cyclopropylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 58314665) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 5-chloro-7-(cyclopropylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-7-(cyclopropylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID58314665
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name5-chloro-7-(cyclopropylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCc1nn2c(CC3CC3)cc(Cl)nc2c1C=O
InChIInChI=1S/C12H12ClN3O/c1-7-10(6-17)12-14-11(13)5-9(16(12)15-7)4-8-2-3-8/h5-6,8H,2-4H2,1H3
InChIKeyNMSPJXWETPXRSU-UHFFFAOYSA-N
XLogP2.46
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-chloro-7-(cyclopropylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(cyclopropylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 5-chloro-7-(cyclopropylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 58314665) is 5-chloro-7-(cyclopropylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 5-chloro-7-(cyclopropylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 5-chloro-7-(cyclopropylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is Cc1nn2c(CC3CC3)cc(Cl)nc2c1C=O.
What is the InChIKey of 5-chloro-7-(cyclopropylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is NMSPJXWETPXRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-7-10(6-17)12-14-11(13)5-9(16(12)15-7)4-8-2-3-8/h5-6,8H,2-4H2,1H3.
What are the key properties of 5-chloro-7-(cyclopropylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
5-chloro-7-(cyclopropylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 249.70 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(cyclopropylmethyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 58314665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).